集成滤波器在谱图信号除噪中的应用

本文提出了一种由神经元网络与线性自适应滤波器组成的集成滤波器的实现方法，用于谱图信号除噪处理。     

模式识别—人工神经网络在化学中的若干新应用

本文通过我们应用模式识别－人工神经网络方法预报新化合物、熔盐相图以及复杂化学反应体系的研究，展示应用模式识别－人工神经网络方法与物理化学理论相结合，研究化学现象的可能性和应用价值。     

人工神经网络X射线荧光光谱法测定钢中酸溶铝

建立了一种人工神经网络-X射线荧光光谱法测定钢中酸溶铝的方法，用X射线荧光光谱法测定低合金钢中总铝值，应用所建立的ANN-BP网络模型，输入总铝含量直接预测出酸溶铝含量。同时使用改进的BP算法，避免了神经网络学习中可能产生的麻痹现象。该方法用于钢中酸溶铝的测定，结果满意。     

Artificial neural networks for quantification in unresolved capillary electrophoresis peaks

The application of the combination of experimental design (ED) and artificial neural networks (ANNs) for the quantification of overlapped peaks in capillary zone electrophoresis is described. When the total separation cannot be achieved by separation techniques, the use of ED-ANN can be a suitable approach. The unstability of EOF causes peak shift that has to be corrected in order to apply ED-ANN methods. In this work, normalization procedure of electropherograms with consequent application of ANNs for quantification purpose was developed. Both, spectra and electropherograms can be used as multivariate data. In general, both kinds of data were found to be suitable for unresolved peaks quantification by ED-ANN approach.     

A generalized equation describing isotope exchange kinetics at solid-liquid interface

A generalization of the kinetic equation for the isotope exchange at solid—liquid interface is presented. The generalized equation may be used to describe kinetics of the isotope exchange process limited by surface reactions and diffusion without assumption of spherical symmetry of solid particles.

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Eine generalisierte Gleichung für die Kinetik des Isotopenaustausches an Fest-Flüssig-Phasengrenzen

Zusammenfassung Es wird eine generalisierte kinetische Gleichung angegeben, die die Kinetik des Isotopenaustausches an Fest-Flüssig-Phasengrenzen beschreibt, wobei der Austauschprozeß durch Oberflächenreaktionen und Diffusion ohne der Annahme sphärischer Symmetrie für die festen Partikel begrenzt ist.

     

Formal Mathematical Analysis of the Existence of the Common Intersection Point in Relation to Determining the Parameters Describing Ion Adsorption at the Oxide/Electrolyte Interface: Comparison of the Triple and Four-Layer Models

For most oxide/electrolyte systems potentiometric titration curves measured for different ionic strengths have a Common Intersection Point (CIP) which corresponds to the Point of Zero Charge (PZC). However, there are systems where a CIP exists but the surface charge at this point does not equal zero (PZC CIP). In this paper theoretical analysis of the systems in which the PZC and CIP do not coincide is presented. It is based on the well-known 2-pK surface charging approach and Triple Layer Model (TLM) as well as the Four Layer Model (FLM) of the electric double layer. The appropriate mathematical criterion for CIP existence was applied with detailed derivations, both for TLM and FLM. Having determined in this manner the parameter values, one can draw proper conclusions about the features of oxide/electrolyte adsorption systems, in which PZC and CIP do not coincide. The values of adsorption parameters are found by fitting simultaneously the obtained theoretical expressions to both of the experimental titration isotherms, and to the individual isotherms of electrolyte cation adsorption measured using radiometric methods.     

Madaline网络用于分光光度法同时测定铜钴镍的研究

采用4－（2－吡啶偶氮）－间苯二酚（PAR）－Cu,Co,Ni显色体系，应用Madline神经网络原理，对于吸收光谱严重重叠的三组分金属配合物体系同时进行含量测定，Cu^2 ,Co^2 ,Ni^2 的平均回收率分别为94％，101％，102％，实验表明，该法具有训练速度快，预测结果准确度良好等特点，有望成为多组分分析的有效方法之一。     

色谱技术在中药指纹图谱研究中的应用

 介绍了气相色谱、高效液相色谱、超临界流体色谱和高速逆流色谱等几种色谱技术在中药指纹图谱研究中的应用现状,以及使用模糊聚类分析和人工神经网络分析指纹图谱对中药进行模式识别和质量鉴定的方法。